N-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-[2-(2-benzoyl-4-bromo-anilino)-2-oxo-ethyl]-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-[2-(2-benzoyl-4-bromo-anilino)-2-keto-ethyl]-3-piperidin-1-ium-1-yl-propionamide Formula: C23H27BrN3O3+ MolecularWeight: 473.38278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26BrN3O3/c24-18-9-10-20(19(15-18)23(30)17-7-3-1-4-8-17)26-22(29)16-25-21(28)11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,25,28)(H,26,29)/p+1